3-(oxan-2-ylmethylidene)-8-azabicyclo[3.2.1]octane

C13H21NO — CID 126844595

IUPAC3-(oxan-2-ylmethylidene)-8-azabicyclo[3.2.1]octane
SMILESC(=C1CC2CCC(C1)N2)C1CCCCO1
InChIInChI=1S/C13H21NO/c1-2-6-15-13(3-1)9-10-7-11-4-5-12(8-10)14-11/h9,11-14H,1-8H2
InChIKeyRDQCFGTYNCWVQN-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.40
Rot. Bonds1

About 3-(oxan-2-ylmethylidene)-8-azabicyclo[3.2.1]octane

3-(oxan-2-ylmethylidene)-8-azabicyclo[3.2.1]octane (PubChem CID 126844595) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-(oxan-2-ylmethylidene)-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(oxan-2-ylmethylidene)-8-azabicyclo[3.2.1]octane
PubChem CID126844595
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name3-(oxan-2-ylmethylidene)-8-azabicyclo[3.2.1]octane
SMILESC(=C1CC2CCC(C1)N2)C1CCCCO1
InChIInChI=1S/C13H21NO/c1-2-6-15-13(3-1)9-10-7-11-4-5-12(8-10)14-11/h9,11-14H,1-8H2
InChIKeyRDQCFGTYNCWVQN-UHFFFAOYSA-N
XLogP2.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(oxan-2-ylmethylidene)piperidine;hydrochloride
CID 126844590
(2R)-oxane-2-carbaldehyde
CID 12648700
2-buta-1,3-dienyloxane
CID 150390930
4-[(E)-2-(oxan-2-yl)ethenyl]piperidine
CID 126844589
2-but-1-enyloxane
CID 54120972
(2R)-2-[(Z)-2-phenylethenyl]oxane
CID 135075421
(2R)-2-[(E)-2-nitroethenyl]oxane
CID 124677206
CID 101368257
CID 101368257
ethane;oxolane-2-carbaldehyde
CID 142055620
2-[(E)-prop-1-enyl]oxolane
CID 12508233
cobalt(3+);oxane-2-thiolate
CID 156663958
(8E)-9-(oxan-2-yl)nona-1,8-dien-4,6-diyn-3-ol
CID 101416718

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-2-ylmethylidene)-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-(oxan-2-ylmethylidene)-8-azabicyclo[3.2.1]octane (CID 126844595) is 3-(oxan-2-ylmethylidene)-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(oxan-2-ylmethylidene)-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-(oxan-2-ylmethylidene)-8-azabicyclo[3.2.1]octane is C(=C1CC2CCC(C1)N2)C1CCCCO1.
What is the InChIKey of 3-(oxan-2-ylmethylidene)-8-azabicyclo[3.2.1]octane?
The InChIKey is RDQCFGTYNCWVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-2-6-15-13(3-1)9-10-7-11-4-5-12(8-10)14-11/h9,11-14H,1-8H2.
What are the key properties of 3-(oxan-2-ylmethylidene)-8-azabicyclo[3.2.1]octane?
3-(oxan-2-ylmethylidene)-8-azabicyclo[3.2.1]octane has a molecular weight of 207.32 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-2-ylmethylidene)-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 126844595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).